CID 43419

2-benzofuranacetamide, n-cyclohexyl-3,6-dihydroxy-, diacetate

Structural Information

Molecular Formula

C₂₀H₂₃NO₆

SMILES

CC(=O)OC1=CC2=C(C=C1)C(=C(O2)CC(=O)NC3CCCCC3)OC(=O)C

InChI

InChI=1S/C20H23NO6/c1-12(22)25-15-8-9-16-17(10-15)27-18(20(16)26-13(2)23)11-19(24)21-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,21,24)

InChIKey

MREVRGPMACJLQG-UHFFFAOYSA-N

Compound name

[3-acetyloxy-2-[2-(cyclohexylamino)-2-oxoethyl]-1-benzofuran-6-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 373.15253 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	374.159806	186.5
[M+Na]+	396.141748	190.9
[M-H]-	372.145254	194.2
[M+NH4]+	391.186353	199.2
[M+K]+	412.115688	190.2
[M+H-H2O]+	356.149790	178.9
[M+HCOO]-	418.150731	205.2
[M+CH3COO]-	432.166381	218.1
[M+Na-2H]-	394.127196	186.1
[M]+	373.15198142	189.8
[M]-	373.15307858	189.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.